SCHEMBL4288052

SCHEMBL4288052

CC(C)(C)OC(=O)NC[C@H]1CCN(c2ccc(N)cc2F)C1

nearest known ligand 0.47

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ACACB O00763 7/20 0.47
ACACA Q13085 7/20 0.47
CKS1B P61024 1/20 0.45
SKP1 P63208 1/20 0.45
SKP2 Q13309 1/20 0.45
DRD2 P14416 2/20 0.43
SUV39H2 Q9H5I1 1/20 0.43
F10 P00742 1/20 0.42
NAMPT P43490 1/20 0.41
IRAK1 P51617 1/20 0.40
RPS6KB1 P23443 3/20 0.40

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL4288054 1.00 ACACB (0.47) ACACBACACACKS1BSKP1SKP2
SCHEMBL13419702 0.95 ACACB (0.49) ACACBACACACKS1BSKP1SKP2
SCHEMBL13419718 0.94 F10 (0.46) ACACBACACACKS1BSKP1SKP2
SCHEMBL31333729 0.89 ACACB (0.46) ACACBACACACKS1BSKP1SKP2
SCHEMBL13419725 0.88 SIRT2 (0.50) ACACBACACACKS1BSKP1SKP2
SCHEMBL31334425 0.85 DRD2 (0.48) ACACBACACACKS1BSKP1SKP2
SCHEMBL31334895 0.85 DRD2 (0.62) ACACBACACACKS1BSKP1SKP2
SCHEMBL7093978 0.85 CKS1B (0.52) ACACBACACACKS1BSKP1SKP2
SCHEMBL4294932 0.84 ALDH1A1 (0.51) ACACBACACACKS1BSKP1SKP2
SCHEMBL4294931 0.84 ALDH1A1 (0.51) ACACBACACACKS1BSKP1SKP2

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8822495-B2 Azacyclyl-substituted aryldihydroisoquinolinones, process for their preparation and their use as medicaments SANOFI (FR) 2014-09-02 US disclosed
EP-1987020-B1 AZACYCLYL-SUBSTITUTED ARYLDIHYDROISOQUINOLINONES, PROCESS FOR THEIR PREPARATION AND THEIR USE AS MEDICAMENTS SANOFI SA (FR) 2012-10-03 EP disclosed
US-20090264403-A1 NOVEL AZACYCLYL-SUBSTITUTED ARYLDIHYDROISOQUINOLINONES, PROCESS FOR THEIR PREPARATION AND THEIR USE AS MEDICAMENTS SANOFI-AVENTIS (FR) 2009-10-22 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20090264403-A1 NOVEL AZACYCLYL-SUBSTITUTED ARYLDIHYDROISOQUINOLINONES, PROCESS FOR THEIR PREPARATION AND THEIR USE AS MEDICAMENTS MCHR1, MRGPRX1, MRGPRX4 ACACB 3834/4885ACACA 3490/4885CKS1B 2906/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.